![3-(Methylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine structure](/static/products/894/894055-57-3.png)
3-(Methylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
TL;DR: 3-(Methylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CAS 894055-57-3) is a chemical compound with molecular formula C12H9N5O2S and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
Also Known As: F2506-0526, 3-(methylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine, 3-methylsulfanyl-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
| Molecular Formula | C12H9N5O2S |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | 2.4214 |
| Topological Polar Surface Area | 86.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0477 |
| Heavy Atoms | 20 |
| Complexity | 801.397 |
Chemical Identifiers
| CAS Number | 894055-57-3 |
|---|---|
| SMILES | CSC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
3-(Methylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CAS 894055-57-3), with molecular formula C12H9N5O2S and molecular weight 287.05 g/mol. IUPAC: 3-methylsulfanyl-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
Chemical Property Profile of 3-(Methylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
Property Insights of 3-(Methylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
The XLogP value of 2.4214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine. The TPSA of 86.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine. Following Lipinski's Rule of Five, 3-(Methylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Methylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The CAS number of 3-(Methylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine is 894055-57-3.
What is the molecular formula of 3-(Methylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The molecular formula of 3-(Methylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine is C12H9N5O2S.
What is the molecular weight of 3-(Methylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The molecular weight of 3-(Methylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine is 287.05 g/mol.
Where can I buy 3-(Methylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
You can request a quote for 3-(Methylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.